[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

Formula:C10H14N5O7P Mutagenic:none Tumorigenic:none Reproductive Effective:none [(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate is not a drug-like molecule.

MolName	[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
MolecularFormula	C10H14N5O7P
Smiles	Nc1c2ncn([C@@H]([C@@H]3O)O[C@@H](COP(O)(O)=O)[C@@H]3O)c2ncn1
InChI	InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m0/s1
InChIK	UDMBCSSLTHHNCD-DEGSGYPDSA-N
TotalMolweight	347.223
Molweight	347.223
MonoisotopicMass	347.063087
CLogP	-5.1538
CLogS	-0.745
H Acceptors	12
H Donors	5
TotalSurfaceArea	221.29
Relative PSA	0.65285
PolarSurfaceArea	195.88
Druglikeness	-20.615
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52174
Fragments	1
Non HAtoms	23
NonCHAtoms	13
Electronegative Atoms	13
StereoCenters	4
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	9
Sp3Atoms	12
Symmetricatoms	1
Aromatic Nitrogens	4
BasicNitrogens	1
AcidicOxygens	2
StereoCon	this enantiomer

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1 - [(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate | 2 - [(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

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